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Cas Database |
| Name |
1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 78667-04-6 | Density | N/A |
| PSA | 17.82000 | LogP | 1.96090 |
| Solubility | N/A | Melting Point |
175 °C |
| Formula | C5H7ClN2.ClH | Boiling Point | 243.7 °C at 760 mmHg |
| Molecular Weight | 167.038 | Flash Point | 101.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 C:Corrosive; |
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| Molecular Structure |
|
Hazard Symbols | R34:Causes burns.; |
| Synonyms |
1H-Imidazole,2-(chloromethyl)-1-methyl-, monohydrochloride (9CI);Imidazole, 2-(chloromethyl)-1-methyl-,hydrochloride (6CI);1-Methyl-2-(chloromethyl)imidazole hydrochloride;2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride;2-(Chloromethyl)-1-methylimidazole hydrochloride; |
Article Data | 11 |
1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1) Specification
This chemical is called 1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1), and its systematic name is 2-(chloromethyl)-1-methyl-1H-imidazole hydrochloride. With the molecular formula of C5H8Cl2N2, its molecular weight is 167.04. The CAS registry number of this chemical is 78667-04-6.
Other characteristics of 1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.37; (8)ACD/KOC (pH 7.4): 25.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Flash Point: 101.2 °C; (14)Enthalpy of Vaporization: 46.13 kJ/mol; (15)Boiling Point: 243.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0493 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.ClCc1nccn1C
2.InChI: InChI=1/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
3.InChIKey: JDIPKQBKSBWIKU-UHFFFAOYAA
4.Std. InChI: InChI=1S/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
5.Std. InChIKey: JDIPKQBKSBWIKU-UHFFFAOYSA-N
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